Glycoside
...
GD095563

Name:
None

Formula:
C21H29O9N2

Smiles:
COc1ccc2c(C[C@H]([NH3+])C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc(=O)oc2c1

Aglycone:
COc1ccc2c(CC([NH3+])C(=O)NCCO)cc(=O)oc2c1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.52
AlogP: -2.09 Num_rotatable_bonds: 8
MolWt: 453.47 Num_heavy_atoms: 32
TPSA: 175.33 NumAromaticRings: 2

Unique Aglycone
AD40769
Formula: C15H19O5N2

Smiles:
COc1ccc2c(CC([NH3+])C(=O)NCCO)cc(=O)oc2c1
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.33
AlogP: -0.94 Num_rotatable_bonds: 6
MolWt: 307.33 Num_heavy_atoms: 22
TPSA: 116.41 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O